3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide

C20H25N3O4S — CID 24980880

IUPAC3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3)c2)CC1
InChIInChI=1S/C20H25N3O4S/c1-22-11-13-23(14-12-22)28(25,26)19-9-5-6-17(16-19)20(24)21-10-15-27-18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,21,24)
InChIKeyZDBUFARAAXSDIN-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.43
Rot. Bonds7

About 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide

3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide (PubChem CID 24980880) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide
PubChem CID24980880
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3)c2)CC1
InChIInChI=1S/C20H25N3O4S/c1-22-11-13-23(14-12-22)28(25,26)19-9-5-6-17(16-19)20(24)21-10-15-27-18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,21,24)
InChIKeyZDBUFARAAXSDIN-UHFFFAOYSA-N
XLogP1.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide (CID 24980880) is 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide is CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3)c2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide?
The InChIKey is ZDBUFARAAXSDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-22-11-13-23(14-12-22)28(25,26)19-9-5-6-17(16-19)20(24)21-10-15-27-18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,21,24).
What are the key properties of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide?
3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide has a molecular weight of 403.50 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 24980880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).